7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25N7O4 — CID 153486365

IUPAC7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCO[C@H]1C[C@@H]1N(C)c1cc(Nc2cccn(C3C4COCC43)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C22H25N7O4/c1-27(15-6-16(15)32-2)18-7-17(26-21-11(20(23)30)8-24-29(18)21)25-14-4-3-5-28(22(14)31)19-12-9-33-10-13(12)19/h3-5,7-8,12-13,15-16,19H,6,9-10H2,1-2H3,(H2,23,30)(H,25,26)/t12?,13?,15-,16-,19?/m0/s1
InChIKeyXHWWVFZXIYLGPK-GLAULVEDSA-N
MW451.49 g/mol
LogP0.77
Rot. Bonds7

About 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153486365) has the molecular formula C22H25N7O4 and a molecular weight of 451.49 g/mol. Its IUPAC name is 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID153486365
Molecular FormulaC22H25N7O4
Molecular Weight451.49 g/mol
Exact Mass451.20
IUPAC Name7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCO[C@H]1C[C@@H]1N(C)c1cc(Nc2cccn(C3C4COCC43)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C22H25N7O4/c1-27(15-6-16(15)32-2)18-7-17(26-21-11(20(23)30)8-24-29(18)21)25-14-4-3-5-28(22(14)31)19-12-9-33-10-13(12)19/h3-5,7-8,12-13,15-16,19H,6,9-10H2,1-2H3,(H2,23,30)(H,25,26)/t12?,13?,15-,16-,19?/m0/s1
InChIKeyXHWWVFZXIYLGPK-GLAULVEDSA-N
XLogP0.77
TPSA129.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153486365) is 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CO[C@H]1C[C@@H]1N(C)c1cc(Nc2cccn(C3C4COCC43)c2=O)nc2c(C(N)=O)cnn12.
What is the InChIKey of 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XHWWVFZXIYLGPK-GLAULVEDSA-N. The full InChI is InChI=1S/C22H25N7O4/c1-27(15-6-16(15)32-2)18-7-17(26-21-11(20(23)30)8-24-29(18)21)25-14-4-3-5-28(22(14)31)19-12-9-33-10-13(12)19/h3-5,7-8,12-13,15-16,19H,6,9-10H2,1-2H3,(H2,23,30)(H,25,26)/t12?,13?,15-,16-,19?/m0/s1.
What are the key properties of 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.49 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1S,2S)-2-methoxycyclopropyl]-methylamino]-5-[[1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153486365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).